SCHEMBL6503832

SCHEMBL6503832

O=S(=O)(O)CC[C@@H](OC1CCCCO1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
IDH2 P48735 2/20 0.36
PRKG1 Q13976 1/20 0.35
APLNR P35414 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADRB3 P13945 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6503829 1.00 PTGER4 (0.42) PTGER4IDH2PRKG1APLNRMEN1
SCHEMBL7260416 0.85 PTGER4 (0.44) PTGER4PRKG1
SCHEMBL5156160 0.85 PTGER4 (0.44) PTGER4PRKG1
SCHEMBL7260412 0.85 PTGER4 (0.44) PTGER4PRKG1
SCHEMBL5156166 0.85 PTGER4 (0.44) PTGER4PRKG1
SCHEMBL7260421 0.85 PTGER4 (0.44) PTGER4PRKG1
SCHEMBL5157125 0.82 PTGER4 (0.42) PTGER4IDH2PRKG1APLNRMEN1
SCHEMBL5157129 0.82 PTGER4 (0.42) PTGER4IDH2PRKG1APLNRMEN1
SCHEMBL5160153 0.82 PTGER4 (0.42) PTGER4IDH2PRKG1APLNRMEN1
SCHEMBL5154909 0.82 PTGER4 (0.42) PTGER4IDH2PRKG1APLNRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037811-A1 A METHOD FOR THE PRODUCTION OF CHIRAL SUBSTITUTED EPOXIDES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2005-04-28 WO disclosed